N-[(2S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]formamide

C7H14N2OS — CID 173155846

IUPACN-[(2S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]formamide
SMILESCCC(C)[C@H](NC=O)C(N)=S
InChIInChI=1S/C7H14N2OS/c1-3-5(2)6(7(8)11)9-4-10/h4-6H,3H2,1-2H3,(H2,8,11)(H,9,10)/t5?,6-/m0/s1
InChIKeyYCQFOAAQZYVJNW-GDVGLLTNSA-N
MW174.27 g/mol
LogP0.43
Rot. Bonds5

About N-[(2S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]formamide

N-[(2S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]formamide (PubChem CID 173155846) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]formamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]formamide
PubChem CID173155846
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC NameN-[(2S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]formamide
SMILESCCC(C)[C@H](NC=O)C(N)=S
InChIInChI=1S/C7H14N2OS/c1-3-5(2)6(7(8)11)9-4-10/h4-6H,3H2,1-2H3,(H2,8,11)(H,9,10)/t5?,6-/m0/s1
InChIKeyYCQFOAAQZYVJNW-GDVGLLTNSA-N
XLogP0.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-4-[[(3S)-2-formamido-3-methylpentanoyl]-methylamino]-2,5-dimethylhex-2-enoate
CID 89283222
methyl 2-[[2-[(2-formamido-3-methylpentanoyl)amino]acetyl]amino]acetate
CID 155571098
2-formamidobutanamide
CID 55291106
N-[(2S)-butan-2-yl]formamide
CID 55285287
methyl (2R)-2-formamidopropanoate
CID 11651157
(2S,3S)-2-acetamido-3-methylpentanamide
CID 6950966
ethyl 2-(diformamidomethyl)prop-2-enoate
CID 23020082
ethyl (2S)-2-formamido-4-methylpentanoate
CID 54441995
CID 91437014
CID 91437014
2-(formyloxyamino)-3-methylpentanoic acid
CID 174920708
(2S)-3-methyl-2-(3-methylbutanoylamino)pentanamide
CID 87725663
N-[(2R)-1-hydroxybutan-2-yl]formamide
CID 55286549

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]formamide?
The IUPAC name of N-[(2S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]formamide (CID 173155846) is N-[(2S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]formamide.
What is the SMILES notation for N-[(2S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]formamide?
The canonical SMILES for N-[(2S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]formamide is CCC(C)[C@H](NC=O)C(N)=S.
What is the InChIKey of N-[(2S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]formamide?
The InChIKey is YCQFOAAQZYVJNW-GDVGLLTNSA-N. The full InChI is InChI=1S/C7H14N2OS/c1-3-5(2)6(7(8)11)9-4-10/h4-6H,3H2,1-2H3,(H2,8,11)(H,9,10)/t5?,6-/m0/s1.
What are the key properties of N-[(2S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]formamide?
N-[(2S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]formamide has a molecular weight of 174.27 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]formamide is sourced from PubChem (CID 173155846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).