N-[(2R)-4-amino-2-sulfanylhexan-3-yl]formamide

C7H16N2OS — CID 152987170

IUPACN-[(2R)-4-amino-2-sulfanylhexan-3-yl]formamide
SMILESCCC(N)C(NC=O)[C@@H](C)S
InChIInChI=1S/C7H16N2OS/c1-3-6(8)7(5(2)11)9-4-10/h4-7,11H,3,8H2,1-2H3,(H,9,10)/t5-,6?,7?/m1/s1
InChIKeyUVNRFCBFZXJLAO-GRQBKTHUSA-N
MW176.28 g/mol
LogP0.16
Rot. Bonds5

About N-[(2R)-4-amino-2-sulfanylhexan-3-yl]formamide

N-[(2R)-4-amino-2-sulfanylhexan-3-yl]formamide (PubChem CID 152987170) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is N-[(2R)-4-amino-2-sulfanylhexan-3-yl]formamide.

Molecular Properties

Compound NameN-[(2R)-4-amino-2-sulfanylhexan-3-yl]formamide
PubChem CID152987170
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC NameN-[(2R)-4-amino-2-sulfanylhexan-3-yl]formamide
SMILESCCC(N)C(NC=O)[C@@H](C)S
InChIInChI=1S/C7H16N2OS/c1-3-6(8)7(5(2)11)9-4-10/h4-7,11H,3,8H2,1-2H3,(H,9,10)/t5-,6?,7?/m1/s1
InChIKeyUVNRFCBFZXJLAO-GRQBKTHUSA-N
XLogP0.16
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-butan-2-yl]formamide
CID 55285287
N-(1-amino-2-methylpropyl)formamide
CID 74218484
ethyl 2-(diformamidomethyl)prop-2-enoate
CID 23020082
hexane-3,4-diamine
CID 12656175
N-(1-sulfanylpropan-2-yl)formamide
CID 165129664
N-[(3S)-3-amino-1-phenylpentan-2-yl]-2-formamido-3-methylbutanamide
CID 130374047
2-formamidobutanamide
CID 55291106
N-[1-(methylamino)propyl]formamide
CID 87799267
2-methylsulfonylpentan-3-amine
CID 62784392
3,4-diaminohexane-1,1-dithiol
CID 91505662
N-(4-formamidopentan-2-yl)formamide
CID 174912100
N-[(2S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]formamide
CID 173155846

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-amino-2-sulfanylhexan-3-yl]formamide?
The IUPAC name of N-[(2R)-4-amino-2-sulfanylhexan-3-yl]formamide (CID 152987170) is N-[(2R)-4-amino-2-sulfanylhexan-3-yl]formamide.
What is the SMILES notation for N-[(2R)-4-amino-2-sulfanylhexan-3-yl]formamide?
The canonical SMILES for N-[(2R)-4-amino-2-sulfanylhexan-3-yl]formamide is CCC(N)C(NC=O)[C@@H](C)S.
What is the InChIKey of N-[(2R)-4-amino-2-sulfanylhexan-3-yl]formamide?
The InChIKey is UVNRFCBFZXJLAO-GRQBKTHUSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-3-6(8)7(5(2)11)9-4-10/h4-7,11H,3,8H2,1-2H3,(H,9,10)/t5-,6?,7?/m1/s1.
What are the key properties of N-[(2R)-4-amino-2-sulfanylhexan-3-yl]formamide?
N-[(2R)-4-amino-2-sulfanylhexan-3-yl]formamide has a molecular weight of 176.28 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-amino-2-sulfanylhexan-3-yl]formamide is sourced from PubChem (CID 152987170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).