1-(propan-2-ylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-2-sulfonamide

C14H31N3O2S — CID 106017991

IUPAC1-(propan-2-ylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-2-sulfonamide
SMILESCC(C)NCC(C)S(=O)(=O)NCC1CCN(C(C)C)C1
InChIInChI=1S/C14H31N3O2S/c1-11(2)15-8-13(5)20(18,19)16-9-14-6-7-17(10-14)12(3)4/h11-16H,6-10H2,1-5H3
InChIKeyDPJKXBGRQBHUQJ-UHFFFAOYSA-N
MW305.49 g/mol
LogP1.02
Rot. Bonds8

About 1-(propan-2-ylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-2-sulfonamide

1-(propan-2-ylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-2-sulfonamide (PubChem CID 106017991) has the molecular formula C14H31N3O2S and a molecular weight of 305.49 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-2-sulfonamide.

Molecular Properties

Compound Name1-(propan-2-ylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-2-sulfonamide
PubChem CID106017991
Molecular FormulaC14H31N3O2S
Molecular Weight305.49 g/mol
Exact Mass305.21
IUPAC Name1-(propan-2-ylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-2-sulfonamide
SMILESCC(C)NCC(C)S(=O)(=O)NCC1CCN(C(C)C)C1
InChIInChI=1S/C14H31N3O2S/c1-11(2)15-8-13(5)20(18,19)16-9-14-6-7-17(10-14)12(3)4/h11-16H,6-10H2,1-5H3
InChIKeyDPJKXBGRQBHUQJ-UHFFFAOYSA-N
XLogP1.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpiperidin-2-yl)methyl]-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106051009
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(methylamino)propane-2-sulfonamide
CID 114135540
1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,2-diamine
CID 146382593
1-(propan-2-ylamino)-N-(thiolan-2-ylmethyl)propane-2-sulfonamide
CID 106071625
2-(methylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 62158541
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pentan-3-amine
CID 61208503
6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 61215514
4-(cyclopropylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]butane-1-sulfonamide
CID 106018008
N-(1-methylpiperidin-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106017805
3-bromo-4-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 106611017
3-amino-5-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 63322314
5-bromo-2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 61207007

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-2-sulfonamide?
The IUPAC name of 1-(propan-2-ylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-2-sulfonamide (CID 106017991) is 1-(propan-2-ylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-2-sulfonamide.
What is the SMILES notation for 1-(propan-2-ylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-2-sulfonamide?
The canonical SMILES for 1-(propan-2-ylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-2-sulfonamide is CC(C)NCC(C)S(=O)(=O)NCC1CCN(C(C)C)C1.
What is the InChIKey of 1-(propan-2-ylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-2-sulfonamide?
The InChIKey is DPJKXBGRQBHUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2S/c1-11(2)15-8-13(5)20(18,19)16-9-14-6-7-17(10-14)12(3)4/h11-16H,6-10H2,1-5H3.
What are the key properties of 1-(propan-2-ylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-2-sulfonamide?
1-(propan-2-ylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-2-sulfonamide has a molecular weight of 305.49 g/mol, XLogP of 1.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-2-sulfonamide is sourced from PubChem (CID 106017991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).