N-[[4-(3-methoxypyrrolidin-1-yl)sulfonyl-1-methylpyrrol-2-yl]methyl]propan-1-amine

C14H25N3O3S — CID 103541482

IUPACN-[[4-(3-methoxypyrrolidin-1-yl)sulfonyl-1-methylpyrrol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(S(=O)(=O)N2CCC(OC)C2)cn1C
InChIInChI=1S/C14H25N3O3S/c1-4-6-15-9-12-8-14(11-16(12)2)21(18,19)17-7-5-13(10-17)20-3/h8,11,13,15H,4-7,9-10H2,1-3H3
InChIKeyPGIBHMPCBQJXMA-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.93
Rot. Bonds7

About N-[[4-(3-methoxypyrrolidin-1-yl)sulfonyl-1-methylpyrrol-2-yl]methyl]propan-1-amine

N-[[4-(3-methoxypyrrolidin-1-yl)sulfonyl-1-methylpyrrol-2-yl]methyl]propan-1-amine (PubChem CID 103541482) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[[4-(3-methoxypyrrolidin-1-yl)sulfonyl-1-methylpyrrol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(3-methoxypyrrolidin-1-yl)sulfonyl-1-methylpyrrol-2-yl]methyl]propan-1-amine
PubChem CID103541482
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC NameN-[[4-(3-methoxypyrrolidin-1-yl)sulfonyl-1-methylpyrrol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(S(=O)(=O)N2CCC(OC)C2)cn1C
InChIInChI=1S/C14H25N3O3S/c1-4-6-15-9-12-8-14(11-16(12)2)21(18,19)17-7-5-13(10-17)20-3/h8,11,13,15H,4-7,9-10H2,1-3H3
InChIKeyPGIBHMPCBQJXMA-UHFFFAOYSA-N
XLogP0.93
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-1-amine
CID 103535331
N-[[3-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-1-amine
CID 103541321
[4-(3-methoxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrol-2-yl]methanol
CID 103541118
1-methyl-N-(3-methylcyclopentyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 114551865
1-(3-chloro-4-methylphenyl)sulfonyl-3-methoxypyrrolidine
CID 131912181
1-methyl-N-(4-methylpentyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 106017012
3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
CID 108781063
1-[2-fluoro-5-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanamine
CID 103541366
N-ethyl-4-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 103538318
1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine
CID 108781060
1-(3,4-dimethoxyphenyl)sulfonyl-3-methoxypyrrolidine
CID 108781072
N-(2,2-dimethylbutyl)-1-methyl-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 103466055

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methoxypyrrolidin-1-yl)sulfonyl-1-methylpyrrol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(3-methoxypyrrolidin-1-yl)sulfonyl-1-methylpyrrol-2-yl]methyl]propan-1-amine (CID 103541482) is N-[[4-(3-methoxypyrrolidin-1-yl)sulfonyl-1-methylpyrrol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(3-methoxypyrrolidin-1-yl)sulfonyl-1-methylpyrrol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(3-methoxypyrrolidin-1-yl)sulfonyl-1-methylpyrrol-2-yl]methyl]propan-1-amine is CCCNCc1cc(S(=O)(=O)N2CCC(OC)C2)cn1C.
What is the InChIKey of N-[[4-(3-methoxypyrrolidin-1-yl)sulfonyl-1-methylpyrrol-2-yl]methyl]propan-1-amine?
The InChIKey is PGIBHMPCBQJXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-4-6-15-9-12-8-14(11-16(12)2)21(18,19)17-7-5-13(10-17)20-3/h8,11,13,15H,4-7,9-10H2,1-3H3.
What are the key properties of N-[[4-(3-methoxypyrrolidin-1-yl)sulfonyl-1-methylpyrrol-2-yl]methyl]propan-1-amine?
N-[[4-(3-methoxypyrrolidin-1-yl)sulfonyl-1-methylpyrrol-2-yl]methyl]propan-1-amine has a molecular weight of 315.44 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methoxypyrrolidin-1-yl)sulfonyl-1-methylpyrrol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 103541482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).