N-[(3-methylcyclopentyl)methyl]-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide

C15H27N3O2S — CID 106089929

IUPACN-[(3-methylcyclopentyl)methyl]-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide
SMILESCC1CCC(CNS(=O)(=O)c2c[nH]c(CNC(C)C)c2)C1
InChIInChI=1S/C15H27N3O2S/c1-11(2)16-9-14-7-15(10-17-14)21(19,20)18-8-13-5-4-12(3)6-13/h7,10-13,16-18H,4-6,8-9H2,1-3H3
InChIKeyDZMPVZVDNCBVPD-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.23
Rot. Bonds7

About N-[(3-methylcyclopentyl)methyl]-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide

N-[(3-methylcyclopentyl)methyl]-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide (PubChem CID 106089929) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is N-[(3-methylcyclopentyl)methyl]-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-[(3-methylcyclopentyl)methyl]-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide
PubChem CID106089929
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC NameN-[(3-methylcyclopentyl)methyl]-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide
SMILESCC1CCC(CNS(=O)(=O)c2c[nH]c(CNC(C)C)c2)C1
InChIInChI=1S/C15H27N3O2S/c1-11(2)16-9-14-7-15(10-17-14)21(19,20)18-8-13-5-4-12(3)6-13/h7,10-13,16-18H,4-6,8-9H2,1-3H3
InChIKeyDZMPVZVDNCBVPD-UHFFFAOYSA-N
XLogP2.23
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(cyclopropylamino)methyl]-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-3-sulfonamide
CID 106089998
N-(cyclobutylmethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106024324
N-[[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-1H-pyrrol-2-yl]methyl]propan-2-amine
CID 104969148
5-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-3-sulfonamide
CID 106030787
5-[(propan-2-ylamino)methyl]-N-(thiolan-3-yl)-1H-pyrrole-3-sulfonamide
CID 106086267
N-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide
CID 107402936
N-[(1,1-dioxothiolan-3-yl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106016768
5-(ethylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-sulfonamide
CID 106052912
N-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide
CID 106060794
5-[(cyclopropylamino)methyl]-N-(oxan-4-ylmethyl)-1H-pyrrole-3-sulfonamide
CID 106063054
4-(bromomethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107414936
N-[(3-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422504

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclopentyl)methyl]-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-[(3-methylcyclopentyl)methyl]-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide (CID 106089929) is N-[(3-methylcyclopentyl)methyl]-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-[(3-methylcyclopentyl)methyl]-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-[(3-methylcyclopentyl)methyl]-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide is CC1CCC(CNS(=O)(=O)c2c[nH]c(CNC(C)C)c2)C1.
What is the InChIKey of N-[(3-methylcyclopentyl)methyl]-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide?
The InChIKey is DZMPVZVDNCBVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-11(2)16-9-14-7-15(10-17-14)21(19,20)18-8-13-5-4-12(3)6-13/h7,10-13,16-18H,4-6,8-9H2,1-3H3.
What are the key properties of N-[(3-methylcyclopentyl)methyl]-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide?
N-[(3-methylcyclopentyl)methyl]-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide has a molecular weight of 313.47 g/mol, XLogP of 2.23, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclopentyl)methyl]-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106089929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).