1-[(2S)-1-methylpiperidin-2-yl]propan-2-amine;(2S)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine

C17H39N5O2S — CID 161446641

IUPAC1-[(2S)-1-methylpiperidin-2-yl]propan-2-amine;(2S)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine
SMILESCC(N)C[C@@H]1CCCCN1C.C[C@H](N)CN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H20N2.C8H19N3O2S/c1-8(10)7-9-5-3-4-6-11(9)2;1-8(9)7-10-3-5-11(6-4-10)14(2,12)13/h8-9H,3-7,10H2,1-2H3;8H,3-7,9H2,1-2H3/t8?,9-;8-/m00/s1
InChIKeyVZZDRTITVNHWFV-GQXQPANQSA-N
MW377.60 g/mol
LogP0.12
Rot. Bonds5

About 1-[(2S)-1-methylpiperidin-2-yl]propan-2-amine;(2S)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine

1-[(2S)-1-methylpiperidin-2-yl]propan-2-amine;(2S)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine (PubChem CID 161446641) has the molecular formula C17H39N5O2S and a molecular weight of 377.60 g/mol. Its IUPAC name is 1-[(2S)-1-methylpiperidin-2-yl]propan-2-amine;(2S)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-[(2S)-1-methylpiperidin-2-yl]propan-2-amine;(2S)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine
PubChem CID161446641
Molecular FormulaC17H39N5O2S
Molecular Weight377.60 g/mol
Exact Mass377.28
IUPAC Name1-[(2S)-1-methylpiperidin-2-yl]propan-2-amine;(2S)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine
SMILESCC(N)C[C@@H]1CCCCN1C.C[C@H](N)CN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H20N2.C8H19N3O2S/c1-8(10)7-9-5-3-4-6-11(9)2;1-8(9)7-10-3-5-11(6-4-10)14(2,12)13/h8-9H,3-7,10H2,1-2H3;8H,3-7,9H2,1-2H3/t8?,9-;8-/m00/s1
InChIKeyVZZDRTITVNHWFV-GQXQPANQSA-N
XLogP0.12
TPSA95.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.60
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-amino-1-cyclodecyl-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide
CID 130280414
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CID 134321932
1-[1-(Methylsulfonyl)-4-piperidinyl]piperazine
CID 28270710
1-(Methylsulfonyl)-4-(4-piperidinyl)piperazine
CID 28271028
1-(1-methylpiperidin-4-yl)-4-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperazine
CID 59367722
N-decyl-1-methylsulfonylpiperidin-4-amine
CID 60760011
1-(1-Methylpiperidin-4-yl)-4-(3-pyrrolidin-2-ylpropylsulfonyl)piperazine
CID 66754979
(S)-1-(1-Methylpiperidin-4-yl)-4-(3-(pyrrolidin-2-yl)propylsulfonyl)piperazine hydrochloride
CID 66755244
1-(1-Methylpiperidin-4-yl)-4-(3-pyrrolidin-2-ylpropylsulfonyl)piperazine;hydrochloride
CID 66755245
1-[3-(4-Methylpiperazin-1-yl)propylsulfonyl]piperidin-4-amine
CID 67404676
N-[(3R)-1-[2-[(1S,5R)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidin-3-yl]methanesulfonamide
CID 68633390
N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide
CID 118527469

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-methylpiperidin-2-yl]propan-2-amine;(2S)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine?
The IUPAC name of 1-[(2S)-1-methylpiperidin-2-yl]propan-2-amine;(2S)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine (CID 161446641) is 1-[(2S)-1-methylpiperidin-2-yl]propan-2-amine;(2S)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine.
What is the SMILES notation for 1-[(2S)-1-methylpiperidin-2-yl]propan-2-amine;(2S)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine?
The canonical SMILES for 1-[(2S)-1-methylpiperidin-2-yl]propan-2-amine;(2S)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine is CC(N)C[C@@H]1CCCCN1C.C[C@H](N)CN1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-[(2S)-1-methylpiperidin-2-yl]propan-2-amine;(2S)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine?
The InChIKey is VZZDRTITVNHWFV-GQXQPANQSA-N. The full InChI is InChI=1S/C9H20N2.C8H19N3O2S/c1-8(10)7-9-5-3-4-6-11(9)2;1-8(9)7-10-3-5-11(6-4-10)14(2,12)13/h8-9H,3-7,10H2,1-2H3;8H,3-7,9H2,1-2H3/t8?,9-;8-/m00/s1.
What are the key properties of 1-[(2S)-1-methylpiperidin-2-yl]propan-2-amine;(2S)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine?
1-[(2S)-1-methylpiperidin-2-yl]propan-2-amine;(2S)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine has a molecular weight of 377.60 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-methylpiperidin-2-yl]propan-2-amine;(2S)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine is sourced from PubChem (CID 161446641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).