N-methyl-1-[1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine

C15H31N3O2S — CID 103504277

IUPACN-methyl-1-[1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine
SMILESCNCC1CCN(S(=O)(=O)N2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C15H31N3O2S/c1-13(2)15-6-10-18(11-7-15)21(19,20)17-8-4-14(5-9-17)12-16-3/h13-16H,4-12H2,1-3H3
InChIKeyGTEYMUWJVQTUDX-UHFFFAOYSA-N
MW317.50 g/mol
LogP1.53
Rot. Bonds5

About N-methyl-1-[1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine

N-methyl-1-[1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine (PubChem CID 103504277) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is N-methyl-1-[1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine
PubChem CID103504277
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC NameN-methyl-1-[1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine
SMILESCNCC1CCN(S(=O)(=O)N2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C15H31N3O2S/c1-13(2)15-6-10-18(11-7-15)21(19,20)17-8-4-14(5-9-17)12-16-3/h13-16H,4-12H2,1-3H3
InChIKeyGTEYMUWJVQTUDX-UHFFFAOYSA-N
XLogP1.53
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 119977537
1-[1-(3-azaspiro[5.5]undecan-3-ylsulfonyl)piperidin-4-yl]-N-methylmethanamine
CID 119978145
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 103192345
N,N-diethyl-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 63248937
4-(methylaminomethyl)-N,N-bis(3-methylbutyl)piperidine-1-sulfonamide
CID 119978105
4-(methylaminomethyl)-N,N-bis(3-methylbutyl)piperidine-1-sulfonamide;hydrochloride
CID 119978104
N-(2,2-difluoroethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 115409174
2-methyl-N-[(1-piperidin-1-ylsulfonylpiperidin-4-yl)methyl]propan-1-amine
CID 63878573
1-[1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977573
1-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-N-methylmethanamine
CID 63248936
N-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990742
N-methyl-1-(1-prop-2-enylsulfonylpiperidin-4-yl)methanamine
CID 79672711

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine (CID 103504277) is N-methyl-1-[1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine is CNCC1CCN(S(=O)(=O)N2CCC(C(C)C)CC2)CC1.
What is the InChIKey of N-methyl-1-[1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine?
The InChIKey is GTEYMUWJVQTUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-13(2)15-6-10-18(11-7-15)21(19,20)17-8-4-14(5-9-17)12-16-3/h13-16H,4-12H2,1-3H3.
What are the key properties of N-methyl-1-[1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine?
N-methyl-1-[1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine has a molecular weight of 317.50 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine is sourced from PubChem (CID 103504277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).