N-(3-aminopropyl)-2-methyl-N-propan-2-yl-1-propylimidazole-4-sulfonamide

C13H26N4O2S — CID 62063542

IUPACN-(3-aminopropyl)-2-methyl-N-propan-2-yl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(CCCN)C(C)C)nc1C
InChIInChI=1S/C13H26N4O2S/c1-5-8-16-10-13(15-12(16)4)20(18,19)17(11(2)3)9-6-7-14/h10-11H,5-9,14H2,1-4H3
InChIKeyHHTSTTCPZADQKV-UHFFFAOYSA-N
MW302.44 g/mol
LogP1.35
Rot. Bonds8

About N-(3-aminopropyl)-2-methyl-N-propan-2-yl-1-propylimidazole-4-sulfonamide

N-(3-aminopropyl)-2-methyl-N-propan-2-yl-1-propylimidazole-4-sulfonamide (PubChem CID 62063542) has the molecular formula C13H26N4O2S and a molecular weight of 302.44 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-methyl-N-propan-2-yl-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-methyl-N-propan-2-yl-1-propylimidazole-4-sulfonamide
PubChem CID62063542
Molecular FormulaC13H26N4O2S
Molecular Weight302.44 g/mol
Exact Mass302.18
IUPAC NameN-(3-aminopropyl)-2-methyl-N-propan-2-yl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(CCCN)C(C)C)nc1C
InChIInChI=1S/C13H26N4O2S/c1-5-8-16-10-13(15-12(16)4)20(18,19)17(11(2)3)9-6-7-14/h10-11H,5-9,14H2,1-4H3
InChIKeyHHTSTTCPZADQKV-UHFFFAOYSA-N
XLogP1.35
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-methyl-N-propan-2-yl-1-propylimidazole-4-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-2-methyl-N-propan-2-yl-1-propylimidazole-4-sulfonamide (CID 62063542) is N-(3-aminopropyl)-2-methyl-N-propan-2-yl-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-2-methyl-N-propan-2-yl-1-propylimidazole-4-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-2-methyl-N-propan-2-yl-1-propylimidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N(CCCN)C(C)C)nc1C.
What is the InChIKey of N-(3-aminopropyl)-2-methyl-N-propan-2-yl-1-propylimidazole-4-sulfonamide?
The InChIKey is HHTSTTCPZADQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2S/c1-5-8-16-10-13(15-12(16)4)20(18,19)17(11(2)3)9-6-7-14/h10-11H,5-9,14H2,1-4H3.
What are the key properties of N-(3-aminopropyl)-2-methyl-N-propan-2-yl-1-propylimidazole-4-sulfonamide?
N-(3-aminopropyl)-2-methyl-N-propan-2-yl-1-propylimidazole-4-sulfonamide has a molecular weight of 302.44 g/mol, XLogP of 1.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-methyl-N-propan-2-yl-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 62063542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).