3-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide

C14H26N4OS — CID 63341711

IUPAC3-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCCC(C(N)=S)N1CCN(CCC(=O)NC2CC2)CC1
InChIInChI=1S/C14H26N4OS/c1-2-12(14(15)20)18-9-7-17(8-10-18)6-5-13(19)16-11-3-4-11/h11-12H,2-10H2,1H3,(H2,15,20)(H,16,19)
InChIKeySRXNFBOCPORWML-UHFFFAOYSA-N
MW298.46 g/mol
LogP0.34
Rot. Bonds7

About 3-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide

3-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide (PubChem CID 63341711) has the molecular formula C14H26N4OS and a molecular weight of 298.46 g/mol. Its IUPAC name is 3-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide
PubChem CID63341711
Molecular FormulaC14H26N4OS
Molecular Weight298.46 g/mol
Exact Mass298.18
IUPAC Name3-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCCC(C(N)=S)N1CCN(CCC(=O)NC2CC2)CC1
InChIInChI=1S/C14H26N4OS/c1-2-12(14(15)20)18-9-7-17(8-10-18)6-5-13(19)16-11-3-4-11/h11-12H,2-10H2,1H3,(H2,15,20)(H,16,19)
InChIKeySRXNFBOCPORWML-UHFFFAOYSA-N
XLogP0.34
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 62626114
2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]acetamide
CID 63341842
ethyl 4-[3-(cyclopropylamino)-3-oxopropyl]piperazine-1-carboxylate
CID 51077572
2-[4-(6-hydroxyhexyl)piperazin-1-yl]butanethioamide
CID 107703812
N-cyclopropyl-3-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63854650
2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]butanamide
CID 63341754
N-cyclopropyl-3-(4-methylpiperidin-1-yl)propanamide
CID 109011725
2-[4-(2-tert-butylsulfonylethyl)piperazin-1-yl]butanethioamide
CID 106724864
2-[4-[3-(cyclopropylamino)-3-oxopropyl]piperazin-1-yl]acetic acid
CID 62626328
2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 63341452
2-[4-(1-amino-1-sulfanylidenepentan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 63341629
N-cyclopropyl-3-[4-[1-(propylamino)ethyl]piperidin-1-yl]propanamide
CID 63853098

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide?
The IUPAC name of 3-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide (CID 63341711) is 3-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide is CCC(C(N)=S)N1CCN(CCC(=O)NC2CC2)CC1.
What is the InChIKey of 3-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide?
The InChIKey is SRXNFBOCPORWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4OS/c1-2-12(14(15)20)18-9-7-17(8-10-18)6-5-13(19)16-11-3-4-11/h11-12H,2-10H2,1H3,(H2,15,20)(H,16,19).
What are the key properties of 3-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide?
3-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide has a molecular weight of 298.46 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 63341711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).