N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide

C14H20N2O2S — CID 44573155

IUPACN-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide
SMILESO=S(=O)(NCC1CC1)c1ccc2c(c1)CCNCC2
InChIInChI=1S/C14H20N2O2S/c17-19(18,16-10-11-1-2-11)14-4-3-12-5-7-15-8-6-13(12)9-14/h3-4,9,11,15-16H,1-2,5-8,10H2
InChIKeyHKAMAMYVFKXJGN-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.06
Rot. Bonds4

About N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide

N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide (PubChem CID 44573155) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide
PubChem CID44573155
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide
SMILESO=S(=O)(NCC1CC1)c1ccc2c(c1)CCNCC2
InChIInChI=1S/C14H20N2O2S/c17-19(18,16-10-11-1-2-11)14-4-3-12-5-7-15-8-6-13(12)9-14/h3-4,9,11,15-16H,1-2,5-8,10H2
InChIKeyHKAMAMYVFKXJGN-UHFFFAOYSA-N
XLogP1.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide (CID 44573155) is N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide is O=S(=O)(NCC1CC1)c1ccc2c(c1)CCNCC2.
What is the InChIKey of N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide?
The InChIKey is HKAMAMYVFKXJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c17-19(18,16-10-11-1-2-11)14-4-3-12-5-7-15-8-6-13(12)9-14/h3-4,9,11,15-16H,1-2,5-8,10H2.
What are the key properties of N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide?
N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide has a molecular weight of 280.39 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide is sourced from PubChem (CID 44573155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).