2,6-diamino-N-(benzenesulfonylmethyl)hexanamide

C13H21N3O3S — CID 18957410

IUPAC2,6-diamino-N-(benzenesulfonylmethyl)hexanamide
SMILESNCCCCC(N)C(=O)NCS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H21N3O3S/c14-9-5-4-8-12(15)13(17)16-10-20(18,19)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,14-15H2,(H,16,17)
InChIKeyTWZDQNIAVLSTKF-UHFFFAOYSA-N
MW299.40 g/mol
LogP-0.01
Rot. Bonds8

About 2,6-diamino-N-(benzenesulfonylmethyl)hexanamide

2,6-diamino-N-(benzenesulfonylmethyl)hexanamide (PubChem CID 18957410) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2,6-diamino-N-(benzenesulfonylmethyl)hexanamide.

Molecular Properties

Compound Name2,6-diamino-N-(benzenesulfonylmethyl)hexanamide
PubChem CID18957410
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2,6-diamino-N-(benzenesulfonylmethyl)hexanamide
SMILESNCCCCC(N)C(=O)NCS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H21N3O3S/c14-9-5-4-8-12(15)13(17)16-10-20(18,19)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,14-15H2,(H,16,17)
InChIKeyTWZDQNIAVLSTKF-UHFFFAOYSA-N
XLogP-0.01
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2,6-diamino-N-(benzenesulfonyl)hexanamide
CID 67920805
(2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide
CID 57079658
(2S)-2,6-diamino-N-(thiophen-2-ylmethyl)hexanamide
CID 70869921
(2S)-2,6-diamino-N-(1-phenylpropan-2-yl)hexanamide;methanesulfonic acid
CID 169442795
(2S)-2,6-diamino-N-(2-hydroxyphenyl)hexanamide
CID 172827982
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2,6-diaminohexanoic acid
CID 157149323
2,6-diamino-N-[10-(2,6-diaminohexanoylamino)decyl]hexanamide
CID 4011235
(2S)-2,6-diamino-N-[6-[[(2S)-2,6-diaminohexanoyl]amino]hexyl]hexanamide
CID 100984594
benzyl 6-(2,6-diaminohexanoylamino)hexanoate
CID 123609901
2,6-diamino-N-[5-amino-6-[4-[[2-amino-6-(2,6-diaminohexanoylamino)hexanoyl]amino]anilino]-6-oxohexyl]hexanamide
CID 58984407
benzyl 6-amino-2-(2,6-diaminohexanoylamino)hexanoate
CID 57051472
magnesium;2-[[(2S)-2,6-diaminohexanoyl]amino]acetic acid;hydride
CID 174953341

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-N-(benzenesulfonylmethyl)hexanamide?
The IUPAC name of 2,6-diamino-N-(benzenesulfonylmethyl)hexanamide (CID 18957410) is 2,6-diamino-N-(benzenesulfonylmethyl)hexanamide.
What is the SMILES notation for 2,6-diamino-N-(benzenesulfonylmethyl)hexanamide?
The canonical SMILES for 2,6-diamino-N-(benzenesulfonylmethyl)hexanamide is NCCCCC(N)C(=O)NCS(=O)(=O)c1ccccc1.
What is the InChIKey of 2,6-diamino-N-(benzenesulfonylmethyl)hexanamide?
The InChIKey is TWZDQNIAVLSTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c14-9-5-4-8-12(15)13(17)16-10-20(18,19)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,14-15H2,(H,16,17).
What are the key properties of 2,6-diamino-N-(benzenesulfonylmethyl)hexanamide?
2,6-diamino-N-(benzenesulfonylmethyl)hexanamide has a molecular weight of 299.40 g/mol, XLogP of -0.01, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-N-(benzenesulfonylmethyl)hexanamide is sourced from PubChem (CID 18957410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).