N,N-diethyl-1-(piperidin-2-ylmethylsulfonyl)pyrrolidin-3-amine

C14H29N3O2S — CID 63540168

IUPACN,N-diethyl-1-(piperidin-2-ylmethylsulfonyl)pyrrolidin-3-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)CC2CCCCN2)C1
InChIInChI=1S/C14H29N3O2S/c1-3-16(4-2)14-8-10-17(11-14)20(18,19)12-13-7-5-6-9-15-13/h13-15H,3-12H2,1-2H3
InChIKeyBBTCIWNHKBNIOT-UHFFFAOYSA-N
MW303.47 g/mol
LogP0.87
Rot. Bonds6

About N,N-diethyl-1-(piperidin-2-ylmethylsulfonyl)pyrrolidin-3-amine

N,N-diethyl-1-(piperidin-2-ylmethylsulfonyl)pyrrolidin-3-amine (PubChem CID 63540168) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is N,N-diethyl-1-(piperidin-2-ylmethylsulfonyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1-(piperidin-2-ylmethylsulfonyl)pyrrolidin-3-amine
PubChem CID63540168
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC NameN,N-diethyl-1-(piperidin-2-ylmethylsulfonyl)pyrrolidin-3-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)CC2CCCCN2)C1
InChIInChI=1S/C14H29N3O2S/c1-3-16(4-2)14-8-10-17(11-14)20(18,19)12-13-7-5-6-9-15-13/h13-15H,3-12H2,1-2H3
InChIKeyBBTCIWNHKBNIOT-UHFFFAOYSA-N
XLogP0.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(piperidin-2-ylmethylsulfonyl)piperidine
CID 55151116
1-methyl-6-(piperidin-2-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81198917
3-(methoxymethyl)-1-(piperidin-2-ylmethylsulfonyl)piperidine
CID 106587601
1,2,6-trimethyl-4-(piperidin-2-ylmethylsulfonyl)piperazine
CID 114537834
2-(piperidin-2-ylmethylsulfonyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 63154862
2-[1-(piperidin-2-ylmethylsulfonyl)piperidin-3-yl]ethanol
CID 107227893
2-[3-(diethylamino)pyrrolidin-1-yl]sulfonylacetonitrile
CID 55219205
4-ethyl-1-(2-piperidin-2-ylethylsulfonyl)piperidine
CID 61421410
4-(piperidin-2-ylmethylsulfonyl)piperazin-2-one
CID 54973565
2-(pyrrolidin-2-ylmethylsulfonyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 63154863
N-ethyl-4-methyl-N-(piperidin-2-ylmethyl)piperidine-1-sulfonamide
CID 106630251
1-[(4-aminophenyl)methylsulfonyl]-N,N-diethylpyrrolidin-3-amine
CID 63168569

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(piperidin-2-ylmethylsulfonyl)pyrrolidin-3-amine?
The IUPAC name of N,N-diethyl-1-(piperidin-2-ylmethylsulfonyl)pyrrolidin-3-amine (CID 63540168) is N,N-diethyl-1-(piperidin-2-ylmethylsulfonyl)pyrrolidin-3-amine.
What is the SMILES notation for N,N-diethyl-1-(piperidin-2-ylmethylsulfonyl)pyrrolidin-3-amine?
The canonical SMILES for N,N-diethyl-1-(piperidin-2-ylmethylsulfonyl)pyrrolidin-3-amine is CCN(CC)C1CCN(S(=O)(=O)CC2CCCCN2)C1.
What is the InChIKey of N,N-diethyl-1-(piperidin-2-ylmethylsulfonyl)pyrrolidin-3-amine?
The InChIKey is BBTCIWNHKBNIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-3-16(4-2)14-8-10-17(11-14)20(18,19)12-13-7-5-6-9-15-13/h13-15H,3-12H2,1-2H3.
What are the key properties of N,N-diethyl-1-(piperidin-2-ylmethylsulfonyl)pyrrolidin-3-amine?
N,N-diethyl-1-(piperidin-2-ylmethylsulfonyl)pyrrolidin-3-amine has a molecular weight of 303.47 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(piperidin-2-ylmethylsulfonyl)pyrrolidin-3-amine is sourced from PubChem (CID 63540168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).